4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione

C135H92Cl18N16O22 — CID 161322399

About 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione

4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione (PubChem CID 161322399) has the molecular formula C135H92Cl18N16O22 and a molecular weight of 2928.46 g/mol. Its IUPAC name is 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione.

Molecular Properties

• Compound Name: 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione
• PubChem CID: 161322399
• Molecular Formula: C135H92Cl18N16O22
• Molecular Weight: 2928.46 g/mol
• Exact Mass: 2918.10
• IUPAC Name: 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione
• SMILES: CC(=O)C(/N=N/c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1Cl)C(=O)Cc1cc(C)c(CC(=O)C(/N=N/c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)C(C)=O)cc1C.CC(=O)C(/N=N/c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1Cl)C(=O)Cc1cc(Cl)c(CC(=O)C(/N=N/c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)C(C)=O)cc1Cl.O=C1C(c2ccc3cccc(N4C(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c5C4=O)c3n2)=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.O=C1CC(=O)/C(=C2\C/C(=C3\C(=O)CC(=O)NC3=O)c3ccccc32)C(=O)N1
• InChI: InChI=1S/C46H40Cl4N6O6.C44H34Cl6N6O6.C26H6Cl8N2O4.C19H12N2O6/c1-23-7-11-33(47)21-37(23)51-45(61)29-9-13-35(49)39(17-29)53-55-43(27(5)57)41(59)19-31-15-26(4)32(16-25(31)3)20-42(60)44(28(6)58)56-54-40-18-30(10-14-36(40)50)46(62)52-38-22-34(48)12-8-24(38)2;1-21-5-9-29(45)19-35(21)51-43(61)25-7-11-31(47)37(15-25)53-55-41(23(3)57)39(59)17-27-13-34(50)28(14-33(27)49)18-40(60)42(24(4)58)56-54-38-16-26(8-12-32(38)48)44(62)52-36-20-30(46)10-6-22(36)2;27-14-10-11(15(28)19(32)18(14)31)24(38)9(23(10)37)7-5-4-6-2-1-3-8(22(6)35-7)36-25(39)12-13(26(36)40)17(30)21(34)20(33)16(12)29;22-12-6-14(24)20-18(26)16(12)10-5-11(9-4-2-1-3-8(9)10)17-13(23)7-15(25)21-19(17)27/h7-18,21-22,43-44H,19-20H2,1-6H3,(H,51,61)(H,52,62);5-16,19-20,41-42H,17-18H2,1-4H3,(H,51,61)(H,52,62);1-5,37H;1-4H,5-7H2,(H,20,24,26)(H,21,25,27)/b2*55-53+,56-54+;;16-10-,17-11-
• InChIKey: ORSLUXKJTZEBGD-VNOGRBASSA-N
• XLogP: 33.89
• TPSA: 565.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2928.46
LogP ≤ 5	33.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione?

The IUPAC name of 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione (CID 161322399) is 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione.

What is the SMILES notation for 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione?

The canonical SMILES for 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione is CC(=O)C(/N=N/c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1Cl)C(=O)Cc1cc(C)c(CC(=O)C(/N=N/c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)C(C)=O)cc1C.CC(=O)C(/N=N/c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1Cl)C(=O)Cc1cc(Cl)c(CC(=O)C(/N=N/c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)C(C)=O)cc1Cl.O=C1C(c2ccc3cccc(N4C(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c5C4=O)c3n2)=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.O=C1CC(=O)/C(=C2\C/C(=C3\C(=O)CC(=O)NC3=O)c3ccccc32)C(=O)N1.

What is the InChIKey of 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione?

The InChIKey is ORSLUXKJTZEBGD-VNOGRBASSA-N. The full InChI is InChI=1S/C46H40Cl4N6O6.C44H34Cl6N6O6.C26H6Cl8N2O4.C19H12N2O6/c1-23-7-11-33(47)21-37(23)51-45(61)29-9-13-35(49)39(17-29)53-55-43(27(5)57)41(59)19-31-15-26(4)32(16-25(31)3)20-42(60)44(28(6)58)56-54-40-18-30(10-14-36(40)50)46(62)52-38-22-34(48)12-8-24(38)2;1-21-5-9-29(45)19-35(21)51-43(61)25-7-11-31(47)37(15-25)53-55-41(23(3)57)39(59)17-27-13-34(50)28(14-33(27)49)18-40(60)42(24(4)58)56-54-38-16-26(8-12-32(38)48)44(62)52-36-20-30(46)10-6-22(36)2;27-14-10-11(15(28)19(32)18(14)31)24(38)9(23(10)37)7-5-4-6-2-1-3-8(22(6)35-7)36-25(39)12-13(26(36)40)17(30)21(34)20(33)16(12)29;22-12-6-14(24)20-18(26)16(12)10-5-11(9-4-2-1-3-8(9)10)17-13(23)7-15(25)21-19(17)27/h7-18,21-22,43-44H,19-20H2,1-6H3,(H,51,61)(H,52,62);5-16,19-20,41-42H,17-18H2,1-4H3,(H,51,61)(H,52,62);1-5,37H;1-4H,5-7H2,(H,20,24,26)(H,21,25,27)/b2*55-53+,56-54+;;16-10-,17-11-.

What are the key properties of 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione?

4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione has a molecular weight of 2928.46 g/mol, XLogP of 33.89, 34 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[[1-[4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]-2,5-dimethylphenyl]-2,4-dioxopentan-3-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide;4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[3-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2,4-dioxopentan-3-yl]diazenyl]benzamide;4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione;(3Z)-3-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]piperidine-2,4,6-trione is sourced from PubChem (CID 161322399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).